[3-[[2-methoxyethyl(phenylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl(phenylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[besyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H22FNO6S2 MolecularWeight: 479.541583

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22FNO6S2/c1-29-15-14-24(31(25,26)21-8-3-2-4-9-21)17-18-6-5-7-20(16-18)30-32(27,28)22-12-10-19(23)11-13-22/h2-13,16H,14-15,17H2,1H3